2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C17H25F2NO — CID 105052994

IUPAC2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25F2NO/c1-16(2)10-12(17(3,4)21-16)15(20-5)9-11-6-7-13(18)14(19)8-11/h6-8,12,15,20H,9-10H2,1-5H3
InChIKeyVQNLEDLCPWQUCA-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 105052994) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID105052994
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25F2NO/c1-16(2)10-12(17(3,4)21-16)15(20-5)9-11-6-7-13(18)14(19)8-11/h6-8,12,15,20H,9-10H2,1-5H3
InChIKeyVQNLEDLCPWQUCA-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
[2-(3,5-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105206767
2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
CID 104988926
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107001925
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
N-ethyl-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622837
4-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]-1,2-difluorobenzene
CID 107003154
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 105052994) is 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CNC(Cc1ccc(F)c(F)c1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is VQNLEDLCPWQUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-16(2)10-12(17(3,4)21-16)15(20-5)9-11-6-7-13(18)14(19)8-11/h6-8,12,15,20H,9-10H2,1-5H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 297.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105052994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).